UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

698290
698290

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Popular Name: N-[4-[(4-chlorophenyl)carbamoylmethyl]thiazol-2-yl]-N-(3-dimethylaminopropyl)-4-fluoro-benzamide N-[4-[(4-chlorophenyl)carbamoylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.49 1.24 -64.03 2 6 1 66 475.997 9 ↓

Analogs

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Popular Name: N-[4-[(4-methylsulfanylphenyl)carbamoylmethyl]thiazol-2-yl]benzamide N-[4-[(4-methylsulfanylphenyl)ca…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 -1.98 -18.52 2 5 0 71 383.498 6 ↓

Analogs

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Popular Name: 4-chloro-N-[4-[2-[(2-ethylphenyl)amino]-2-oxo-ethyl]thiazol-2-yl]benzamide 4-chloro-N-[4-[2-[(2-ethylphenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.65 9.72 -15.4 2 5 0 71 399.903 6 ↓

Analogs

698292
698292
699319
699319
9627858
9627858

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Popular Name: 4-chloro-N-[4-[2-[(4-ethylphenyl)amino]-2-oxo-ethyl]thiazol-2-yl]benzamide 4-chloro-N-[4-[2-[(4-ethylphenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.70 9.49 -15.88 2 5 0 71 399.903 6 ↓

Analogs

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Popular Name: N-[4-[2-[[2-(difluoromethylsulfanyl)phenyl]amino]-2-oxo-ethyl]thiazol-2-yl]benzamide N-[4-[2-[[2-(difluoromethylsulfa…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.05 8.95 -17.06 2 5 0 71 419.478 7 ↓

Analogs

15880969
15880969

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Popular Name: 2-[[2-(2-benzamidothiazol-4-yl)acetyl]amino]-N-methyl-benzamide 2-[[2-(2-benzamidothiazol-4-yl)a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 6.35 -19.67 3 7 0 100 394.456 6 ↓

Analogs

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Popular Name: N-[4-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]thiazol-2-yl]benzamide N-[4-[2-(3-chloro-4-cyano-anilin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 8.35 -18.41 2 6 0 95 396.859 5 ↓

Analogs

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Popular Name: N-[4-[2-(3-chloro-2-fluoro-anilino)-2-oxo-ethyl]thiazol-2-yl]benzamide N-[4-[2-(3-chloro-2-fluoro-anili…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.85 8.14 -14.73 2 5 0 71 389.839 5 ↓

Parameters Provided:

ring.id = 4687
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 4687 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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